N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C23H19N3O2S2 — CID 19194351

About N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 19194351) has the molecular formula C23H19N3O2S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 19194351
• Molecular Formula: C23H19N3O2S2
• Molecular Weight: 433.56 g/mol
• Exact Mass: 433.09
• IUPAC Name: N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
• SMILES: COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nc(-c2ccccc2)cs1
• InChI: InChI=1S/C23H19N3O2S2/c1-28-21-12-11-16-7-5-6-10-18(16)19(21)13-24-26-22(27)15-30-23-25-20(14-29-23)17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,26,27)/b24-13+
• InChIKey: WYZDBOUUQQVWFS-ZMOGYAJESA-N
• XLogP: 5.21
• TPSA: 63.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.56
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 19194351) is N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nc(-c2ccccc2)cs1.

What is the InChIKey of N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?

The InChIKey is WYZDBOUUQQVWFS-ZMOGYAJESA-N. The full InChI is InChI=1S/C23H19N3O2S2/c1-28-21-12-11-16-7-5-6-10-18(16)19(21)13-24-26-22(27)15-30-23-25-20(14-29-23)17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,26,27)/b24-13+.

What are the key properties of N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?

N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 433.56 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 19194351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).